| SpectraBase Spectrum ID |
AkoGWRFaVIa |
| Name |
Capillin |
| CAS Registry Number |
495-74-9 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
168.057514877 u |
| Formula |
C12H8O |
| InChI |
InChI=1S/C12H8O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,1H3 |
| InChIKey |
RAZOKRUZEQERLH-UHFFFAOYSA-N |
| Molecular Weight |
168.195 g/mol |
| Number of Peaks |
50 |
| RI1 |
1639 |
| SMILES |
C(=O)(C#CC#CC)c1ccccc1 |
| SPLASH |
splash10-000f-7900000000-e518c31b7c17cee6a4cc |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
2,4-Hexadiyn-1-one, 1-phenyl- |
| Wiley ID |
LM_FFNSC3_2318 |
